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CAS 1047684-56-9 4,4′-Bis(5-hexyl-2-thienyl)-2,2′-bipyridyl molecular structure lightbox
CAS RN: 1047684-56-9

4,4′-Bis(5-hexyl-2-thienyl)-2,2′-bipyridyl

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 100mg In stock Shanghai Inquiry
Batchno.20251120 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260116 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251209 5g Out of stock Inquiry
  • Product code: SSC-006510
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1047684-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1047684-56-9 / 4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)-2-pyridinyl]pyridine

4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl | RefChem:506562 | 810-931-1

Standard CAS: 1047684-56-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1047684-56-9
Multi CAS
No
Molecular Formula
C30H36N2S2
Molecular Weight
488.800000
Exact Mass
488.231992
SMILES
CCCCCCC1=CC=C(S1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(S4)CCCCCC
InChI
InChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChIKey
DCFNCZSDXIPGOQ-UHFFFAOYSA-N
Synonyms
4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl RefChem:506562 810-931-1 4,4'-Bis(5-hexylthiophen-2-yl)-2,2'-bipyridine MFCD22581259

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
149.79
TPSA
25.78

LogP / Solubility

WLOGP
9.85
MLOGP
8.7
XLogP3
9.8
Consensus LogP
9.45
Log S (ESOL)
-8.69
Class (ESOL)
Insoluble
Log S (Ali)
-10.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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